SCHEMBL3590139

SCHEMBL3590139

NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.46
CNR1 P21554 4/20 0.42
CYP3A4 P08684 2/20 0.40
DPP8 Q6V1X1 4/20 0.39
PTH1R Q03431 1/20 0.36
DPP9 Q86TI2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3604955 0.83 DPP4 (0.48) DPP4CNR1CYP3A4DPP8DPP9
SCHEMBL3600854 0.82 DPP4 (0.46) DPP4DPP8
SCHEMBL3079559 0.81 DPP4 (0.51) DPP4CNR1CYP3A4DPP8DPP9
SCHEMBL3601689 0.81 DPP4 (0.46) DPP4CYP3A4DPP8
SCHEMBL3585733 0.81 DPP4 (0.46) DPP4CNR1CYP3A4DPP8DPP9
SCHEMBL3598381 0.81 DPP4 (0.49) DPP4CNR1CYP3A4DPP8DPP9
SCHEMBL3603961 0.80 DPP4 (0.46) DPP4CNR1CYP3A4DPP8DPP9
SCHEMBL3600930 0.80 DPP4 (0.46) DPP4CYP3A4DPP8
SCHEMBL3091767 0.80 DPP4 (0.50) DPP4CNR1DPP8
SCHEMBL3092513 0.80 DPP4 (0.47) DPP4CNR1CYP3A4DPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed